Step 1.) Determine equilibrium lattice constant: loop.job To make a quick plot of SUMMARY.fcc try: gnuplot gnuplot> plot "SUMMARY.fcc" using ($1):($4) w lp Step 2.) Enter the correct equilibrium lattice constant in the POSCAR file Step 3.) Determine the density-of-states: dos.job Step 4.) Calculate the bandstructure; band.job N.B.: you need the CHGCAR file from step 3.